1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one

C20H24N2O2S — CID 71799595

IUPAC1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one
SMILESCc1cccc(OC2CCN(C(=O)CCSc3ccccc3)CC2)n1
InChIInChI=1S/C20H24N2O2S/c1-16-6-5-9-19(21-16)24-17-10-13-22(14-11-17)20(23)12-15-25-18-7-3-2-4-8-18/h2-9,17H,10-15H2,1H3
InChIKeyJJZYRHXIMKSMTA-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.94
Rot. Bonds6

About 1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one

1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one (PubChem CID 71799595) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one
PubChem CID71799595
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one
SMILESCc1cccc(OC2CCN(C(=O)CCSc3ccccc3)CC2)n1
InChIInChI=1S/C20H24N2O2S/c1-16-6-5-9-19(21-16)24-17-10-13-22(14-11-17)20(23)12-15-25-18-7-3-2-4-8-18/h2-9,17H,10-15H2,1H3
InChIKeyJJZYRHXIMKSMTA-UHFFFAOYSA-N
XLogP3.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one?
The IUPAC name of 1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one (CID 71799595) is 1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one is Cc1cccc(OC2CCN(C(=O)CCSc3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one?
The InChIKey is JJZYRHXIMKSMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-16-6-5-9-19(21-16)24-17-10-13-22(14-11-17)20(23)12-15-25-18-7-3-2-4-8-18/h2-9,17H,10-15H2,1H3.
What are the key properties of 1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one?
1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one has a molecular weight of 356.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-3-phenylsulfanylpropan-1-one is sourced from PubChem (CID 71799595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).